N-butyl-N-ethyl-2,4-difluoro-6-hydroxybenzamide

C13H17F2NO2 — CID 60599171

IUPACN-butyl-N-ethyl-2,4-difluoro-6-hydroxybenzamide
SMILESCCCCN(CC)C(=O)c1c(O)cc(F)cc1F
InChIInChI=1S/C13H17F2NO2/c1-3-5-6-16(4-2)13(18)12-10(15)7-9(14)8-11(12)17/h7-8,17H,3-6H2,1-2H3
InChIKeyXQRXYFHKWVDKGC-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.93
Rot. Bonds5

About N-butyl-N-ethyl-2,4-difluoro-6-hydroxybenzamide

N-butyl-N-ethyl-2,4-difluoro-6-hydroxybenzamide (PubChem CID 60599171) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is N-butyl-N-ethyl-2,4-difluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2,4-difluoro-6-hydroxybenzamide
PubChem CID60599171
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC NameN-butyl-N-ethyl-2,4-difluoro-6-hydroxybenzamide
SMILESCCCCN(CC)C(=O)c1c(O)cc(F)cc1F
InChIInChI=1S/C13H17F2NO2/c1-3-5-6-16(4-2)13(18)12-10(15)7-9(14)8-11(12)17/h7-8,17H,3-6H2,1-2H3
InChIKeyXQRXYFHKWVDKGC-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 65101704
N,N-dibutyl-3,4,5-trifluorobenzamide
CID 63188520
N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-(oxolan-2-ylmethyl)benzamide
CID 71980640
N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 96570042
N-(2-cyanoethyl)-2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide
CID 71980637
N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187331
2,4-difluoro-6-hydroxy-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122136
N-(2-bromoethyl)-N-butyl-2,4-difluorobenzamide
CID 80662300
N-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide
CID 63754248
N-butyl-2-chloro-N-ethyl-5-fluoropyridine-3-carboxamide
CID 103891528
N-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide
CID 43090789
1-(2,4,6-trifluorophenyl)hexan-1-one
CID 43160560

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2,4-difluoro-6-hydroxybenzamide?
The IUPAC name of N-butyl-N-ethyl-2,4-difluoro-6-hydroxybenzamide (CID 60599171) is N-butyl-N-ethyl-2,4-difluoro-6-hydroxybenzamide.
What is the SMILES notation for N-butyl-N-ethyl-2,4-difluoro-6-hydroxybenzamide?
The canonical SMILES for N-butyl-N-ethyl-2,4-difluoro-6-hydroxybenzamide is CCCCN(CC)C(=O)c1c(O)cc(F)cc1F.
What is the InChIKey of N-butyl-N-ethyl-2,4-difluoro-6-hydroxybenzamide?
The InChIKey is XQRXYFHKWVDKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-3-5-6-16(4-2)13(18)12-10(15)7-9(14)8-11(12)17/h7-8,17H,3-6H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-2,4-difluoro-6-hydroxybenzamide?
N-butyl-N-ethyl-2,4-difluoro-6-hydroxybenzamide has a molecular weight of 257.28 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2,4-difluoro-6-hydroxybenzamide is sourced from PubChem (CID 60599171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).